(E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[4-(1-azepanylsulfonyl)phenyl]-3-(2-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[4-(azepan-1-ylsulfonyl)phenyl]-3-o-phenetyl-acrylamide Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H28N2O4S/c1-2-29-22-10-6-5-9-19(22)11-16-23(26)24-20-12-14-21(15-13-20)30(27,28)25-17-7-3-4-8-18-25/h5-6,9-16H,2-4,7-8,17-18H2,1H3,(H,24,26)/b16-11+